SCHEMBL1899808

SCHEMBL1899808

CC(C)[C@@H](O)C(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 1/20 0.43
PSMB5 P28074 1/20 0.43
PSMB2 P49721 1/20 0.43
KLKB1 P03952 2/20 0.43
FURIN P09958 1/20 0.42
MASP2 O00187 3/20 0.42
PDPK1 O15530 1/20 0.42
NAMPT P43490 1/20 0.40
MME P08473 1/20 0.38
ACE P12821 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
HTRA1 Q92743 4/20 0.38
CARM1 Q86X55 2/20 0.37
PRMT6 Q96LA8 2/20 0.37
CPB2 Q96IY4 1/20 0.37
HDAC1 Q13547 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1906175 1.00 PSMB1 (0.43) PSMB1PSMB5PSMB2KLKB1FURIN
SCHEMBL1902458 1.00 PSMB1 (0.43) PSMB1PSMB5PSMB2KLKB1FURIN
SCHEMBL1906161 0.89 NAMPT (0.46) KLKB1FURINMASP2NAMPTCPB2
SCHEMBL1904034 0.89 NAMPT (0.46) KLKB1FURINMASP2NAMPTCPB2
SCHEMBL1904039 0.89 NAMPT (0.46) KLKB1FURINMASP2NAMPTCPB2
SCHEMBL1903937 0.89 PSMB1 (0.48) PSMB1PSMB5PSMB2KLKB1FURIN
SCHEMBL1906377 0.89 PSMB1 (0.48) PSMB1PSMB5PSMB2KLKB1FURIN
SCHEMBL1431871 0.88 MASP2 (0.44) PSMB1PSMB5PSMB2KLKB1FURIN
SCHEMBL3147989 0.88 MASP2 (0.44) PSMB1PSMB5PSMB2KLKB1FURIN
SCHEMBL3148014 0.88 MASP2 (0.44) PSMB1PSMB5PSMB2KLKB1FURIN

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011051671-A1 AMINOPYRIDINE DERIVATIVES AS KALLIKREIN INHIBITORS VANTIA LIMITED (GB) 2011-05-05 WO claimed
WO-2011051671-A1 AMINOPYRIDINE DERIVATIVES AS KALLIKREIN INHIBITORS VANTIA LIMITED (GB) 2011-05-05 WO disclosed